3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide

C16H19N3O2S — CID 126766405

IUPAC3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide
SMILESNC(=O)CCC1CCCN(C(=O)c2ccc3ncsc3c2)C1
InChIInChI=1S/C16H19N3O2S/c17-15(20)6-3-11-2-1-7-19(9-11)16(21)12-4-5-13-14(8-12)22-10-18-13/h4-5,8,10-11H,1-3,6-7,9H2,(H2,17,20)
InChIKeyKHKWVBAHPHXRRD-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.41
Rot. Bonds4

About 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide

3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide (PubChem CID 126766405) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide
PubChem CID126766405
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide
SMILESNC(=O)CCC1CCCN(C(=O)c2ccc3ncsc3c2)C1
InChIInChI=1S/C16H19N3O2S/c17-15(20)6-3-11-2-1-7-19(9-11)16(21)12-4-5-13-14(8-12)22-10-18-13/h4-5,8,10-11H,1-3,6-7,9H2,(H2,17,20)
InChIKeyKHKWVBAHPHXRRD-UHFFFAOYSA-N
XLogP2.41
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(1,3-benzothiazole-6-carbonyl)piperidine-3-carboxylic acid
CID 81118458
1,3-benzothiazol-6-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72847990
1,3-benzothiazol-6-yl-[(3R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99992556
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(1,3-benzothiazol-6-yl)methanone
CID 121184075
1,3-benzothiazol-6-yl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61410984
1,3-benzothiazol-6-yl-[(3R)-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
CID 99993802
1,3-benzothiazol-6-yl-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146423
1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56910797
1,3-benzothiazol-6-yl-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 47017726
1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone
CID 119562736
3-[1-(2-aminobenzoyl)piperidin-3-yl]propanamide;hydrochloride
CID 119945100
(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228705

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide (CID 126766405) is 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide is NC(=O)CCC1CCCN(C(=O)c2ccc3ncsc3c2)C1.
What is the InChIKey of 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is KHKWVBAHPHXRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c17-15(20)6-3-11-2-1-7-19(9-11)16(21)12-4-5-13-14(8-12)22-10-18-13/h4-5,8,10-11H,1-3,6-7,9H2,(H2,17,20).
What are the key properties of 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide?
3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 317.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 126766405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).